nonacyclo[10.9.1.16,9.114,21.116,19.01,13.03,11.05,10.015,20]pentacos-7-ene

C25H32 — CID 57171383

IUPACnonacyclo[10.9.1.16,9.114,21.116,19.01,13.03,11.05,10.015,20]pentacos-7-ene
SMILESC1=CC2CC1C1CC3CC45CC(C3C21)C4C1CC5C2C3CCC(C3)C12
InChIInChI=1S/C25H32/c1-2-12-5-11(1)16-7-15-9-25-10-18(22(15)20(12)16)24(25)17-8-19(25)23-14-4-3-13(6-14)21(17)23/h1-2,11-24H,3-10H2
InChIKeyOBJGFWHQUPQMGJ-UHFFFAOYSA-N
MW332.53 g/mol
LogP5.40
Rot. Bonds

About nonacyclo[10.9.1.16,9.114,21.116,19.01,13.03,11.05,10.015,20]pentacos-7-ene

nonacyclo[10.9.1.16,9.114,21.116,19.01,13.03,11.05,10.015,20]pentacos-7-ene (PubChem CID 57171383) has the molecular formula C25H32 and a molecular weight of 332.53 g/mol. Its IUPAC name is nonacyclo[10.9.1.16,9.114,21.116,19.01,13.03,11.05,10.015,20]pentacos-7-ene.

Molecular Properties

Compound Namenonacyclo[10.9.1.16,9.114,21.116,19.01,13.03,11.05,10.015,20]pentacos-7-ene
PubChem CID57171383
Molecular FormulaC25H32
Molecular Weight332.53 g/mol
Exact Mass332.25
IUPAC Namenonacyclo[10.9.1.16,9.114,21.116,19.01,13.03,11.05,10.015,20]pentacos-7-ene
SMILESC1=CC2CC1C1CC3CC45CC(C3C21)C4C1CC5C2C3CCC(C3)C12
InChIInChI=1S/C25H32/c1-2-12-5-11(1)16-7-15-9-25-10-18(22(15)20(12)16)24(25)17-8-19(25)23-14-4-3-13(6-14)21(17)23/h1-2,11-24H,3-10H2
InChIKeyOBJGFWHQUPQMGJ-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nonacyclo[10.9.1.16,9.114,21.116,19.01,13.03,11.05,10.015,20]pentacos-7-ene?
The IUPAC name of nonacyclo[10.9.1.16,9.114,21.116,19.01,13.03,11.05,10.015,20]pentacos-7-ene (CID 57171383) is nonacyclo[10.9.1.16,9.114,21.116,19.01,13.03,11.05,10.015,20]pentacos-7-ene.
What is the SMILES notation for nonacyclo[10.9.1.16,9.114,21.116,19.01,13.03,11.05,10.015,20]pentacos-7-ene?
The canonical SMILES for nonacyclo[10.9.1.16,9.114,21.116,19.01,13.03,11.05,10.015,20]pentacos-7-ene is C1=CC2CC1C1CC3CC45CC(C3C21)C4C1CC5C2C3CCC(C3)C12.
What is the InChIKey of nonacyclo[10.9.1.16,9.114,21.116,19.01,13.03,11.05,10.015,20]pentacos-7-ene?
The InChIKey is OBJGFWHQUPQMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32/c1-2-12-5-11(1)16-7-15-9-25-10-18(22(15)20(12)16)24(25)17-8-19(25)23-14-4-3-13(6-14)21(17)23/h1-2,11-24H,3-10H2.
What are the key properties of nonacyclo[10.9.1.16,9.114,21.116,19.01,13.03,11.05,10.015,20]pentacos-7-ene?
nonacyclo[10.9.1.16,9.114,21.116,19.01,13.03,11.05,10.015,20]pentacos-7-ene has a molecular weight of 332.53 g/mol, XLogP of 5.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[10.9.1.16,9.114,21.116,19.01,13.03,11.05,10.015,20]pentacos-7-ene is sourced from PubChem (CID 57171383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).